General Information of the Compound
| Compound ID |
CP0519780
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| Compound Name |
3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol-5-yl)methyl]-4-oxo-6-(pentyloxy)-1,4-dihydroquinoline-2-carboxylic acid
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| Structure |
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| Formula |
C33H33NO8
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| Molecular Weight |
571.626
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| Canonical SMILES |
CCCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
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| InChI |
InChI=1S/C33H33NO8/c1-3-5-6-12-40-24-10-11-27-25(17-24)31(35)26(14-20-8-7-9-22(13-20)32(36)37)30(33(38)39)34(27)18-23-16-29-28(41-19-42-29)15-21(23)4-2/h7-11,13,15-17H,3-6,12,14,18-19H2,1-2H3,(H,36,37)(H,38,39)
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| InChIKey |
UKUDNNUJALQAMV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound